Geometry & MOs

Info

ID:	83906
PubChem CID:	49862336
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	383.032932
ΔH_f, kcal/mol:	-2.93
Dipole, Da:	3.08
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-difluoro-4-oxido-1-oxo-3-[4-(trifluoromethoxy)phenyl]quinoxalin-1-ium-2-carbonitrile

Drug info:

PubChemData

Smile

C1COCCC1C(=O)N2C[C@@H]3[C@H](C2)C3CNC4=NC(=CS4)C5=CC=CC=N5

DOS

IR

Vibrations